Fraxetin

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Systematic / IUPAC Name: 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one

ID: Reference7881

Other Names: 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-;
7,8-Dihydroxy-6-methoxy-2-benzopyrone;
7,8-Dihydroxy-6-methoxychromen-2-one;
7,8-Dihydroxy-6-methoxycoumarin;
Coumarin, 7,8-dihydroxy-6-methoxy

Formula: C10H8O5

Spectral Data

Fraxetin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 3
No. of Spectra 1767
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/2/2018 10:45:44 AM
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Identificators

InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChI Key HAVWRBANWNTOJX-UHFFFAOYSA-N
Canonical SMILES COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O
CAS 574845
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Other Names 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-;
7,8-Dihydroxy-6-methoxy-2-benzopyrone;
7,8-Dihydroxy-6-methoxychromen-2-one;
7,8-Dihydroxy-6-methoxycoumarin;
Coumarin, 7,8-dihydroxy-6-methoxy

In Other Databases

ChEMBL CHEMBL54909
Wikipedia Fraxetin
PubChem 5273569
ChemIDPlus 000574845; 574845
ChEBI CHEBI:5169
ChemSpider 4437972
KEGG C09265